Details of the Drug

General Information of Drug (ID: DMDWGS9)

Drug Name

4-Hydroxy-4-phenyl-butyric acid

Synonyms

4-Hydroxy-4-phenyl-butyric acid; 4-hydroxy-4-phenylbutanoic acid; 34674-93-6; BAS 00281341; AC1O5G7Z; SCHEMBL258372; CHEMBL170514; 4-Hydroxy-4-phenylbutyric acid; gamma-Hydroxybenzenebutanoic acid; CTK7J6414; SBB010649; AKOS016038533; AKOS000301399; MCULE-4325680851; BBV-183857; TR-045028; BB0266635; ST50341916

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

180.2

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H12O3
IUPAC Name: 4-hydroxy-4-phenylbutanoic acid
Canonical SMILES: C1=CC=C(C=C1)C(CCC(=O)O)O
InChI: InChI=1S/C10H12O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChIKey: OGQGIKZPOBBMNO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6483718
TTD ID: D00XKM
VARIDT ID: DR01077

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-hydroxybutyrate receptor (SLC52A2)	TT6TKEN	S52A2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Analogues of gamma-hydroxybutyric acid. Synthesis and binding studies. J Med Chem. 1988 May;31(5):893-7.